Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5372871

Cl.NC(O)CCP(=O)(O)CC1CCCCC1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.34
MMP1 known ✓ P03956 1/20 0.34
MMP8 known ✓ P22894 1/20 0.34
GRIN2D known ✓ O15399 3/20 0.32
GRIN3B known ✓ O60391 3/20 0.32
GRIN1 known ✓ Q05586 3/20 0.32
GRIN2A known ✓ Q12879 3/20 0.32
GRIN2B known ✓ Q13224 3/20 0.32
GRIN2C known ✓ Q14957 3/20 0.32
GRIN3A known ✓ Q8TCU5 3/20 0.32
METAP1 P53582 1/20 0.47
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2951190 0.98 METAP1 (0.49) METAP1ANPEPERAP2CYP1A2CYP3A4
SCHEMBL2954900 0.83 METAP1 (0.47) METAP1ANPEPERAP2CYP1A2CYP3A4
SCHEMBL5379957 0.81 METAP1 (0.41) METAP1ANPEPERAP2CYP1A2CYP3A4
SCHEMBL398615 0.74 GABBR2 (0.47) METAP1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9417109 0.73 CYP1A2 (0.44) METAP1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5372867 0.73 CYP1A2 (0.44) METAP1CYP1A2CYP3A4
SCHEMBL5509358 0.73 CA12 (0.39) METAP1CYP1A2CYP3A4CA12CA1
SCHEMBL5087334 0.72 CA12 (0.38) METAP1CYP1A2CYP3A4CA12CA1
SCHEMBL2947951 0.71 CYP1A2 (0.45) METAP1CYP1A2CYP3A4
SCHEMBL2946324 0.71 CYP1A2 (0.45) METAP1CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673377-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXYPROPYLPHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2013-12-25 EP disclosed
US-7186705-B2 Process for the preparation of 3-amino-2-hydroxypropylphosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1673377-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXYPROPYLPHOSPHINIC ACID DERIVATIVES Aventis Pharmaceuticals Inc. (US) 2006-06-28 EP disclosed
WO-2005030781-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXYPROPYLPHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
US-20050070507-A1 Process for the preparation of 3-amino-2-hydroxypropylphosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2005-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050070507-A1 Process for the preparation of 3-amino-2-hydroxypropylphosphinic acid derivatives HTR5A, HPD, HNMT CA2 828/4885MMP1 2453/4885MMP8 4264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.